3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
Chemical Structure Depiction of
3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
Compound characteristics
| Compound ID: | G395-1456 |
| Compound Name: | 3-(6-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one |
| Molecular Weight: | 466.5 |
| Molecular Formula: | C23 H26 N6 O5 |
| Smiles: | C(Cc1nnc2ccc(NCc3ccc4c(c3)OCO4)nn12)C(N1CCC2(CC1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7038 |
| logD: | 0.7038 |
| logSw: | -1.9277 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.12 |
| InChI Key: | QGOBRDWRTFXOAQ-UHFFFAOYSA-N |